Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0R6DT
|
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| Former ID |
DNC003339
|
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| Drug Name |
Equilin
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C18H20O2
|
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| Canonical SMILES |
CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O
|
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| InChI |
1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
|
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| InChIKey |
WKRLQDKEXYKHJB-HFTRVMKXSA-N
|
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| CAS Number |
CAS 474-86-2
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| PubChem Compound ID | |||||
| PubChem Substance ID |
76023, 7887348, 8139975, 9377718, 10318998, 10321319, 11466878, 11467998, 11486496, 14714964, 15221806, 17395392, 30426527, 46506633, 46530457, 47206005, 47515354, 47515355, 47662327, 47810794, 49698662, 50124119, 50349598, 56422880, 57400017, 72794226, 85083119, 85787335, 92125805, 95613351, 103308722, 103913799, 113476960, 121363476, 124582936, 124800354, 129595529, 134973142, 137066005, 141003814, 144212958, 160965398, 162858348, 164152419, 164815975, 164841026, 175612028, 176267054, 179149000, 184575703
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| Target and Pathway | |||||
| Target(s) | Estradiol 17 beta-dehydrogenase 1 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Estradiol biosynthesis I | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| NetPath Pathway | FSH Signaling Pathway | ||||
| PANTHER Pathway | Androgen/estrogene/progesterone biosynthesis | ||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| Reactome | The canonical retinoid cycle in rods (twilight vision) | ||||
| WikiPathways | Steroid Biosynthesis | ||||
| Metabolism of steroid hormones and vitamin D | |||||
| Prostate Cancer | |||||
| References | |||||
| REF 1 | How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | ||||
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